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CC = gcc
CXX = g++
CPP =
FC = mpifort
LD = mpifort
NVCC = nvcc
GPUVER = $(_gpuver)
AR = ar -r
DFLAGS = -D__FFTW3 \
-D__LIBINT \
-D__parallel -D__SCALAPACK \
-D__ELPA \
-D__LIBXSMM \
-D__LIBXC \
-D__SPGLIB \
-D__SIRIUS \
-D__ACC -D__DBCSR_ACC -D__PW_CUDA -D__GRID_CUDA \
-D__PLUMED2
INCS = -I/usr/include \
-I/usr/include/elpa_openmp-$(_elpaver)/elpa \
-I/usr/include/elpa_openmp-$(_elpaver)/modules \
-I/opt/cuda/include
OPTFLAGS = -O3 -march=native -fopenmp
CFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS)
CXXFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -std=c++11
CPPFLAGS =
FCFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) \
-ffree-form -ffree-line-length-none \
-fallow-argument-mismatch
NVFLAGS = $(DFLAGS) -O3 -Xcompiler="-fopenmp" \
-gencode arch=compute_35,code=sm_35 \
-gencode arch=compute_37,code=sm_37 \
-gencode arch=compute_50,code=sm_50 \
-gencode arch=compute_52,code=sm_52 \
-gencode arch=compute_60,code=sm_60 \
-gencode arch=compute_61,code=sm_61 \
-gencode arch=compute_70,code=sm_70 \
-gencode arch=compute_75,code=sm_75 \
-gencode arch=compute_80,code=sm_80 \
-gencode arch=compute_86,code=sm_86 \
-Wno-deprecated-gpu-targets
LDFLAGS = $(FCFLAGS)
LIBS = -L/opt/cuda/lib64 -lcudart -lcuda \
-lcublas -lcufft -lrt -lnvrtc \
-lxsmmf -lxsmm \
-lelpa_openmp -lcosma -lscalapack -lblas -llapack \
-lfftw3 -lfftw3_threads \
/usr/lib/libint2.a \
-lxcf03 -lxc \
-lsymspg \
-l$(_plumed) \
-lstdc++ -lpthread -lm -ldl -lz
include /usr/lib/$(_plumed)/src/lib/Plumed.inc
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